SCHEMBL9165745

SCHEMBL9165745

O=[C]COc1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.63
PLG P00747 1/20 0.62
TBXA2R P21731 7/20 0.59
PRMT1 Q99873 2/20 0.52
SGMS1 Q86VZ5 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP19A1 P11511 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
GAA P10253 1/20 0.50
TBXAS1 P24557 1/20 0.48
ACLY P53396 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9329278 0.90 F2 (0.62) F2PLGTBXA2RPRMT1SGMS1
SCHEMBL10446945 0.86 F2 (0.66) F2PLGTBXA2RPRMT1SGMS1
SCHEMBL9126951 0.84 F2 (0.69) F2PLGTBXA2RPRMT1SGMS1
SCHEMBL9129517 0.83 F2 (0.66) F2PLGTBXA2RPRMT1SGMS1
Hydrochloric Acid SCHEMBL9132077 0.83 F2 (0.68) F2PLGTBXA2RPRMT1SGMS1
SCHEMBL9127503 0.83 TBXA2R (0.69) F2PLGTBXA2RPRMT1SGMS1
SCHEMBL9128145 0.83 F2 (0.68) F2PLGTBXA2RPRMT1SGMS1
SCHEMBL9850678 0.83 F2 (0.64) F2PLGTBXA2RPRMT1SGMS1
SCHEMBL9131036 0.82 TBXA2R (0.82) F2PLGTBXA2RPRMT1MEN1
SCHEMBL9127508 0.82 F2 (0.68) F2PLGTBXA2RPRMT1SGMS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0564499-B1 NOVEL AMINES, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1995-04-12 EP claimed